2,6-Dibromo-4-methyl-3-nitroaniline

Base Information

• Chemical Name: 2,6-Dibromo-4-methyl-3-nitroaniline
• CAS No.: 117824-54-1
• Molecular Formula: C₇H₆Br₂N₂O₂
• Molecular Weight: 309.945
• DSSTox Substance ID: DTXSID201279381
• Nikkaji Number: J257.644I
• Mol file: 117824-54-1.mol

Synonyms:2,6-dibromo-4-methyl-3-nitroaniline;117824-54-1;DTXSID201279381;3,5-dibromo-4-amino-2-nitrotoluene;2,6-Dibromo-4-methyl-3-nitrobenzenamine;AN-584/43362392

Chemical Property of 2,6-Dibromo-4-methyl-3-nitroaniline

Chemical Property:

• Melting Point: 81-82 °C
• Boiling Point: 333.8±37.0 °C(Predicted)
• PKA: -1.08±0.10(Predicted)
• Density: 2.036±0.06 g/cm3(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 309.87755
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

2,6-Dibromo-4-methyl-3-nitroaniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1[N+](=O)[O-])Br)N)Br

Technology Process of 2,6-Dibromo-4-methyl-3-nitroaniline

There total 2 articles about 2,6-Dibromo-4-methyl-3-nitroaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

4-Methyl-3-nitroanilin (119-32-4) → 2,6-dibromo-4-methyl-3-nitro-aniline (117824-54-1)

Guidance literature:

With benzyltrimethylammonium tribromide; calcium carbonate; In methanol; dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1246/bcsj.61.597

Reference yield:

bromine (7726-95-6) + acetic acid (64-19-7,77671-22-8) + 4-Methyl-3-nitroanilin (119-32-4) → 2,6-dibromo-4-methyl-3-nitro-aniline (117824-54-1)

Guidance literature:

Reference yield:

2,6-dibromo-4-methyl-3-nitro-aniline (117824-54-1) → 1,3-dibromo-5-methyl-2,4,6-trinitro-benzene (98279-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Diazotization_.Kochen mit Alkohol

upstream raw materials:

4-Methyl-3-nitroanilin

bromine

acetic acid

Downstream raw materials:

2-Nitro-3,5-dibromtoluen

2,6-dibromo-4-methyl-3,5-dinitro-aniline

1,3-dibromo-5-methyl-2,4,6-trinitro-benzene

3,5-dibromo-2,6-dinitro-toluene